methyl (Z)-4-methylidenehex-2-enimidate

C8H13NO — CID 87074448

IUPACmethyl (Z)-4-methylidenehex-2-enimidate
SMILES[H]/N=C(/C=C\C(=C)CC)OC
InChIInChI=1S/C8H13NO/c1-4-7(2)5-6-8(9)10-3/h5-6,9H,2,4H2,1,3H3/b6-5-,9-8-
InChIKeyPRLWEZBYHHILAF-AFJQJTPPSA-N
MW139.20 g/mol
LogP2.13
Rot. Bonds3

About methyl (Z)-4-methylidenehex-2-enimidate

methyl (Z)-4-methylidenehex-2-enimidate (PubChem CID 87074448) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is methyl (Z)-4-methylidenehex-2-enimidate.

Molecular Properties

Compound Namemethyl (Z)-4-methylidenehex-2-enimidate
PubChem CID87074448
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namemethyl (Z)-4-methylidenehex-2-enimidate
SMILES[H]/N=C(/C=C\C(=C)CC)OC
InChIInChI=1S/C8H13NO/c1-4-7(2)5-6-8(9)10-3/h5-6,9H,2,4H2,1,3H3/b6-5-,9-8-
InChIKeyPRLWEZBYHHILAF-AFJQJTPPSA-N
XLogP2.13
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-methylidenehex-2-enimidate?
The IUPAC name of methyl (Z)-4-methylidenehex-2-enimidate (CID 87074448) is methyl (Z)-4-methylidenehex-2-enimidate.
What is the SMILES notation for methyl (Z)-4-methylidenehex-2-enimidate?
The canonical SMILES for methyl (Z)-4-methylidenehex-2-enimidate is [H]/N=C(/C=C\C(=C)CC)OC.
What is the InChIKey of methyl (Z)-4-methylidenehex-2-enimidate?
The InChIKey is PRLWEZBYHHILAF-AFJQJTPPSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7(2)5-6-8(9)10-3/h5-6,9H,2,4H2,1,3H3/b6-5-,9-8-.
What are the key properties of methyl (Z)-4-methylidenehex-2-enimidate?
methyl (Z)-4-methylidenehex-2-enimidate has a molecular weight of 139.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-methylidenehex-2-enimidate is sourced from PubChem (CID 87074448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).